Materials Data on NdZrO14 by Materials Project

doi:10.17188/1723145

Title: Materials Data on NdZrO14 by Materials Project

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Abstract

NdO2ZrO12 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of one NdO2 framework and one ZrO12 framework. In the NdO2 framework, Nd is bonded to four equivalent O atoms to form corner-sharing NdO4 tetrahedra. All Nd–O bond lengths are 2.36 Å. O is bonded in a linear geometry to two equivalent Nd atoms. In the ZrO12 framework, Zr is bonded in a cuboctahedral geometry to twelve equivalent O atoms. All Zr–O bond lengths are 2.40 Å. O is bonded in a 4-coordinate geometry to one Zr and two equivalent O atoms. Both O–O bond lengths are 1.69 Å.

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1210676

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; NdZrO14; Nd-O-Zr

OSTI Identifier:: 1723145

DOI:: https://doi.org/10.17188/1723145

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                    The Materials Project. Materials Data on NdZrO14 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1723145.

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                    The Materials Project. Materials Data on NdZrO14 by Materials Project.  United States.  doi:https://doi.org/10.17188/1723145

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                    The Materials Project. 2019.  
"Materials Data on NdZrO14 by Materials Project".  United States.  doi:https://doi.org/10.17188/1723145.  https://www.osti.gov/servlets/purl/1723145. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1723145,

  title        = {Materials Data on NdZrO14 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdO2ZrO12 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of one NdO2 framework and one ZrO12 framework. In the NdO2 framework, Nd is bonded to four equivalent O atoms to form corner-sharing NdO4 tetrahedra. All Nd–O bond lengths are 2.36 Å. O is bonded in a linear geometry to two equivalent Nd atoms. In the ZrO12 framework, Zr is bonded in a cuboctahedral geometry to twelve equivalent O atoms. All Zr–O bond lengths are 2.40 Å. O is bonded in a 4-coordinate geometry to one Zr and two equivalent O atoms. Both O–O bond lengths are 1.69 Å.},

  doi          = {10.17188/1723145},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1723145

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